4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea

C162H187ClN34O8 — CID 157197335

About 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea

4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea (PubChem CID 157197335) has the molecular formula C162H187ClN34O8 and a molecular weight of 2773.96 g/mol. Its IUPAC name is 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea
• PubChem CID: 157197335
• Molecular Formula: C162H187ClN34O8
• Molecular Weight: 2773.96 g/mol
• Exact Mass: 2771.50
• IUPAC Name: 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea
• SMILES: CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1C.Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3C)c2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C)c1C
• InChI: InChI=1S/C30H34N8O.C29H32N8O.C28H33N5O2.C26H31N5O2.C25H30N4O.C24H27ClN4O/c1-21-6-4-7-24(18-21)34-30(39)35-26-9-5-8-25(19-26)32-28-22(2)20-31-29(36-28)33-23-10-12-27(13-11-23)38-16-14-37(3)15-17-38;1-21-20-30-28(32-23-11-13-26(14-12-23)37-17-15-36(2)16-18-37)35-27(21)31-24-9-6-10-25(19-24)34-29(38)33-22-7-4-3-5-8-22;1-20-19-29-28(31-22-12-14-25(15-13-22)35-24-10-3-2-4-11-24)32-26(20)30-23-9-7-8-21(18-23)27(34)33-16-5-6-17-33;1-17-16-27-26(29-20-12-14-22(15-13-20)33-21-8-5-4-6-9-21)31-25(17)30-24-11-7-10-23(18(24)2)28-19(3)32;1-17-8-7-11-23(19(17)3)28-24-18(2)16-26-25(29-24)27-20-12-14-22(15-13-20)30-21-9-5-4-6-10-21;1-16-14-19(10-13-22(16)25)27-23-17(2)15-26-24(29-23)28-18-8-11-21(12-9-18)30-20-6-4-3-5-7-20/h4-13,18-20H,14-17H2,1-3H3,(H2,34,35,39)(H2,31,32,33,36);3-14,19-20H,15-18H2,1-2H3,(H2,33,34,38)(H2,30,31,32,35);7-9,12-15,18-19,24H,2-6,10-11,16-17H2,1H3,(H2,29,30,31,32);7,10-16,21H,4-6,8-9H2,1-3H3,(H,28,32)(H2,27,29,30,31);7-8,11-16,21H,4-6,9-10H2,1-3H3,(H2,26,27,28,29);8-15,20H,3-7H2,1-2H3,(H2,26,27,28,29)
• InChIKey: AQJZDVCLWDHEIX-UHFFFAOYSA-N
• XLogP: 37.66
• TPSA: 480.59 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2773.96
LogP ≤ 5	37.66
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

The IUPAC name of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea (CID 157197335) is 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea.

What is the SMILES notation for 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

The canonical SMILES for 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea is CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)c1C.Cc1cc(Nc2nc(Nc3ccc(OC4CCCCC4)cc3)ncc2C)ccc1Cl.Cc1cccc(NC(=O)Nc2cccc(Nc3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3C)c2)c1.Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1cccc(NC(=O)Nc2ccccc2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C(=O)N2CCCC2)c1.Cc1cnc(Nc2ccc(OC3CCCCC3)cc2)nc1Nc1cccc(C)c1C.

What is the InChIKey of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

The InChIKey is AQJZDVCLWDHEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O.C29H32N8O.C28H33N5O2.C26H31N5O2.C25H30N4O.C24H27ClN4O/c1-21-6-4-7-24(18-21)34-30(39)35-26-9-5-8-25(19-26)32-28-22(2)20-31-29(36-28)33-23-10-12-27(13-11-23)38-16-14-37(3)15-17-38;1-21-20-30-28(32-23-11-13-26(14-12-23)37-17-15-36(2)16-18-37)35-27(21)31-24-9-6-10-25(19-24)34-29(38)33-22-7-4-3-5-8-22;1-20-19-29-28(31-22-12-14-25(15-13-22)35-24-10-3-2-4-11-24)32-26(20)30-23-9-7-8-21(18-23)27(34)33-16-5-6-17-33;1-17-16-27-26(29-20-12-14-22(15-13-20)33-21-8-5-4-6-9-21)31-25(17)30-24-11-7-10-23(18(24)2)28-19(3)32;1-17-8-7-11-23(19(17)3)28-24-18(2)16-26-25(29-24)27-20-12-14-22(15-13-20)30-21-9-5-4-6-10-21;1-16-14-19(10-13-22(16)25)27-23-17(2)15-26-24(29-23)28-18-8-11-21(12-9-18)30-20-6-4-3-5-7-20/h4-13,18-20H,14-17H2,1-3H3,(H2,34,35,39)(H2,31,32,33,36);3-14,19-20H,15-18H2,1-2H3,(H2,33,34,38)(H2,30,31,32,35);7-9,12-15,18-19,24H,2-6,10-11,16-17H2,1H3,(H2,29,30,31,32);7,10-16,21H,4-6,8-9H2,1-3H3,(H,28,32)(H2,27,29,30,31);7-8,11-16,21H,4-6,9-10H2,1-3H3,(H2,26,27,28,29);8-15,20H,3-7H2,1-2H3,(H2,26,27,28,29).

What are the key properties of 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea?

4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea has a molecular weight of 2773.96 g/mol, XLogP of 37.66, 40 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-methylphenyl)-2-N-(4-cyclohexyloxyphenyl)-5-methylpyrimidine-2,4-diamine;N-[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]-2-methylphenyl]acetamide;[3-[[2-(4-cyclohexyloxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-N-(4-cyclohexyloxyphenyl)-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-2,4-diamine;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-phenylurea is sourced from PubChem (CID 157197335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).